CAS RN: 1391080-13-9
METHYL (2S)-2-METHYLAZETIDINE-2-CARBOXYLATE HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250929 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1391080-13-9
- Purity/Analytical Methods: >99.0%
1391080-13-9 / methyl (2S)-2-methylazetidine-2-carboxylate;hydrochloride
Basic Information
CAS
1391080-13-9
Multi CAS
No
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
C[C@]1(CCN1)C(=O)OC.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-6(3-4-7-6)5(8)9-2;/h7H,3-4H2,1-2H3;1H/t6-;/m0./s1
InChIKey
HKRDVTDOFOMXDY-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.29
TPSA
38.33
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.33
Consensus LogP
0.32
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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